TABLE 2.
Data collection and refinement statistics
| PIINC1 | PIINC2 | PIIADP | |
|---|---|---|---|
| Data collection | |||
| Space group | P321 | P321 | P61 |
| Cell dimensions | |||
| a, b, c (Å) | 65.69, 65.69, 49.20 | 73.42, 73.42, 95.63 | 122.46, 122.46, 80.47 |
| α, β, γ (°) | 90, 90, 120 | 90, 90, 120 | 90, 90, 120 |
| Resolution (Å) | 33-1.6 (1.7-1.6) | 95.6-2.15 (2.28-2.15) | 48.7-3.1 (3.29-3.1) |
| Rsym or Rmerge | 0.03 (0.34) | 0.07 (0.57) | 0.13 (0.76) |
| I/σI | 32.3 (4.9) | 20.2 (2.4) | 8.8 (1.8) |
| Completeness (%) | 99.9 (99.4) | 100.0 (99.8) | 87.8 (90.1) |
| Redundancy | 8.1 (7.8) | 13.7 (13.6) | 3.2 (3.5) |
| Refinement | |||
| Resolution (Å) | 33-1.6 (1.7-1.6) | 63-2.15 (2.28-2.15) | 45-3.1 (3.41-3.10) |
| No. reflections | 16,524 | 16,722 | 11,089 |
| Rwork/Rfree | 0.21/0.23 | 0.23/0.27 (0.31/0.37) | 0.21/0.27 (0.30/0.36) |
| No. atoms (all) | |||
| Protein | 695 | 2.057 | 4.525 |
| Water | 56 | 48 | |
| B-Factors | |||
| Protein | 27.8 | 15.1 | 81 |
| Water | 35.5 | 31.8 | |
| r.m.s.d. | |||
| Bond lengths (Å) | 0.008 | 0.004 | 0.005 |
| Bond angles (°) | 1.28 | 0.78 | 1.05 |
| Ramachandran statistics | |||
| Residues in favored region, no. (%) | 253 (95.8) | 245 (97.0) | 546 (96.8) |
| Residues in allowed region, no. (%) | 261 (100.0) | 258 (100.0) | 564 (100.0) |
| Residues in outlier region, no. (%) | 0 (0.0) | 0 (0.0) | 0 (0.0) |
| PDB entry | 4C3I | 4C3M | 4C3K |